Information card for entry 1550872

Structure parameters

• Formula: C28 H29 N2 P
• Calculated formula: C28 H29 N2 P
• SMILES: P(N[C@H](C)c1ccccc1)(=N[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
• Authors of publication: Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 4742 - 4749
• a: 9.37 ± 0.0019 Å
• b: 31.24 ± 0.006 Å
• c: 15.94 ± 0.003 Å
• α: 90°
• β: 91.6 ± 0.03°
• γ: 90°
• Cell volume: 4664.1 ± 1.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No